SCHEMBL1387344

SCHEMBL1387344

CNCCNC(=O)CC[O]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
NAAA Q02083 1/20 0.41
CASP2 P42575 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 3/20 0.35
DNM1 Q05193 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
LPAR1 Q92633 1/20 0.33
CNR1 P21554 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14002750 0.85 ALDH1A1 (0.48) ALDH1A1NAAACASP2TSHRMEN1
SCHEMBL13839061 0.83 FAAH (0.50) ALDH1A1NAAACASP2TSHRMEN1
SCHEMBL1387345 0.83 NAAA (0.57) ALDH1A1NAAACASP2TSHRMEN1
SCHEMBL27317502 0.81 TSHR (0.47) ALDH1A1NAAACASP2TSHRMEN1
SCHEMBL12583601 0.81 CASP2 (0.59) ALDH1A1NAAACASP2MEN1KMT2A
SCHEMBL16281002 0.81 ALDH1A1 (0.45) ALDH1A1NAAACASP2TSHRMEN1
SCHEMBL5030896 0.81 PHF8 (0.54) ALDH1A1NAAAKMT2AKDM4EKDM5C
SCHEMBL1387174 0.80
SCHEMBL19115845 0.79 ALDH1A1 (0.46) ALDH1A1NAAACASP2TSHRMEN1
SCHEMBL14002749 0.79 ALDH1A1 (0.43) ALDH1A1NAAACASP2TSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP claimed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US claimed
JP-H09506363-A 1997-06-24 JP claimed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO claimed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed